Naphthalene, 1-chloro-
- Formula: C10H7Cl
- Molecular weight: 162.616
- IUPAC Standard InChIKey: JTPNRXUCIXHOKM-UHFFFAOYSA-N
- CAS Registry Number: 90-13-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: α-Chloronaphthalene; 1-Chloronaphthalene; 1-Naphthyl chloride; α-naphthyl chloride; α-Chlornaphthalene; 1-Chlornaftalen; alpha-Chloronaphthalene; alpha-Naphthyl chloride; 1-Naphthalenyl chloride; NSC 6166; Monochloro naphthalene
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Gas phase ion energetics data
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.2771 ± 0.0035 | ECD | Steelhammer and Wentworth, 1969 | B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.13 | PE | Klasinc, Kovac, et al., 1983 | LBLHLM |
De-protonation reactions
C10H6Cl- + =
By formula: C10H6Cl- + H+ = C10H7Cl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1594. ± 8.4 | kJ/mol | Bran | Wenthold and Squires, 1995 | gas phase; By HO- cleavage of substituted silanes; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1561. ± 8.8 | kJ/mol | H-TS | Wenthold and Squires, 1995 | gas phase; By HO- cleavage of substituted silanes; B |
C10H6Cl- + =
By formula: C10H6Cl- + H+ = C10H7Cl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1621. ± 9.6 | kJ/mol | Bran | Wenthold and Squires, 1995 | gas phase; By HO- cleavage of substituted silanes; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1589. ± 10. | kJ/mol | H-TS | Wenthold and Squires, 1995 | gas phase; By HO- cleavage of substituted silanes; B |
C10H6Cl- + =
By formula: C10H6Cl- + H+ = C10H7Cl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1610. ± 15. | kJ/mol | Bran | Wenthold and Squires, 1995 | gas phase; By HO- cleavage of substituted silanes; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1577. ± 16. | kJ/mol | H-TS | Wenthold and Squires, 1995 | gas phase; By HO- cleavage of substituted silanes; B |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Steelhammer and Wentworth, 1969
Steelhammer, J.C.; Wentworth, W.E.,
Correlation of Electron Beam and Thermal Electron Attachment Studies for Some Chloro, Bromo, Iodo Aromatic Compounds,
J. Chem. Phys., 1969, 51, 5, 1802, https://doi.org/10.1063/1.1672262
. [all data]
Klasinc, Kovac, et al., 1983
Klasinc, L.; Kovac, B.; Gusten, H.,
Photoelectron spectra of acenes. Electronic structure and substituent effects,
Pure Appl. Chem., 1983, 55, 289. [all data]
Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R.,
Determination of the gas-phase acidities of halogen-substituted aromatic compounds using the silane-cleavage method,
J. Mass Spectrom., 1995, 30, 1, 17, https://doi.org/10.1002/jms.1190300105
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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